NequIP dataset and model for LGPS
收藏Figshare2022-11-07 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/NequIP_dataset_and_model_for_LGPS/21505605/1
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资源简介：
Can be used to run MD with the NequIP repository. Units for the dataset are: kcal/mol for energy, kcal/mol-Å for forces, Å for units of length.
提供机构：
Winter, Gavin
创建时间：
2022-11-05
